2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide

C₂₅H₃₁N₅O₂S — CID 154944163

About 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide

2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide (PubChem CID 154944163) has the molecular formula C₂₅H₃₁N₅O₂S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide
• PubChem CID: 154944163
• Molecular Formula: C₂₅H₃₁N₅O₂S
• Molecular Weight: 465.62 g/mol
• Exact Mass: 465.22
• IUPAC Name: 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide
• SMILES: Cc1ncc(CC(=O)NC(C(=O)Nc2ccc(-c3c(C)n[nH]c3C)cc2)C2CCCCC2)s1
• InChI: InChI=1S/C25H31N5O2S/c1-15-23(16(2)30-29-15)18-9-11-20(12-10-18)27-25(32)24(19-7-5-4-6-8-19)28-22(31)13-21-14-26-17(3)33-21/h9-12,14,19,24H,4-8,13H2,1-3H3,(H,27,32)(H,28,31)(H,29,30)
• InChIKey: HUDSKFNOYVASHE-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.62
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide?

The IUPAC name of 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide (CID 154944163) is 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide.

What is the SMILES notation for 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide?

The canonical SMILES for 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide is Cc1ncc(CC(=O)NC(C(=O)Nc2ccc(-c3c(C)n[nH]c3C)cc2)C2CCCCC2)s1.

What is the InChIKey of 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide?

The InChIKey is HUDSKFNOYVASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-15-23(16(2)30-29-15)18-9-11-20(12-10-18)27-25(32)24(19-7-5-4-6-8-19)28-22(31)13-21-14-26-17(3)33-21/h9-12,14,19,24H,4-8,13H2,1-3H3,(H,27,32)(H,28,31)(H,29,30).

What are the key properties of 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide?

2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide has a molecular weight of 465.62 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide is sourced from PubChem (CID 154944163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154944163 — identifiers, structure, computed properties (public domain)

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